3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride

C14H15Cl2FN2O2S — CID 154898176

IUPAC3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CNCC[C@H]1O)c1sc2cccc(F)c2c1Cl
InChIInChI=1S/C14H14ClFN2O2S.ClH/c15-12-11-7(16)2-1-3-10(11)21-13(12)14(20)18-8-6-17-5-4-9(8)19;/h1-3,8-9,17,19H,4-6H2,(H,18,20);1H/t8-,9-;/m1./s1
InChIKeyMBHDQGOGDNNQNQ-VTLYIQCISA-N
MW365.26 g/mol
LogP2.57
Rot. Bonds2

About 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride

3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 154898176) has the molecular formula C14H15Cl2FN2O2S and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID154898176
Molecular FormulaC14H15Cl2FN2O2S
Molecular Weight365.26 g/mol
Exact Mass364.02
IUPAC Name3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CNCC[C@H]1O)c1sc2cccc(F)c2c1Cl
InChIInChI=1S/C14H14ClFN2O2S.ClH/c15-12-11-7(16)2-1-3-10(11)21-13(12)14(20)18-8-6-17-5-4-9(8)19;/h1-3,8-9,17,19H,4-6H2,(H,18,20);1H/t8-,9-;/m1./s1
InChIKeyMBHDQGOGDNNQNQ-VTLYIQCISA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 25236737
3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
4-fluoro-3-(methoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119450232
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
1-(3-chloro-4-fluorophenyl)-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154905367
3-chloro-4-fluoro-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 1246057
4-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 62490061
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
(1R,6S)-9-(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133131562
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 79510859

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride (CID 154898176) is 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride is Cl.O=C(N[C@@H]1CNCC[C@H]1O)c1sc2cccc(F)c2c1Cl.
What is the InChIKey of 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is MBHDQGOGDNNQNQ-VTLYIQCISA-N. The full InChI is InChI=1S/C14H14ClFN2O2S.ClH/c15-12-11-7(16)2-1-3-10(11)21-13(12)14(20)18-8-6-17-5-4-9(8)19;/h1-3,8-9,17,19H,4-6H2,(H,18,20);1H/t8-,9-;/m1./s1.
What are the key properties of 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride?
3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 365.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 154898176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).